6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid

C8H7F2NO3 — CID 118831600

IUPAC6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(O)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(12)6(7(9)10)11-5(3)8(13)14/h2,7,12H,1H3,(H,13,14)
InChIKeyJAXHXDOJELXXAR-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.73
Rot. Bonds2

About 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid

6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid (PubChem CID 118831600) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
PubChem CID118831600
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(O)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(12)6(7(9)10)11-5(3)8(13)14/h2,7,12H,1H3,(H,13,14)
InChIKeyJAXHXDOJELXXAR-UHFFFAOYSA-N
XLogP1.73
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
6-bromo-2-(difluoromethyl)-5-methylpyridin-3-ol
CID 119007846
6-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxamide
CID 118837404
5-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 130106784
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
CID 133102888
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxamide
CID 130086462
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid (CID 118831600) is 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid is Cc1cc(O)c(C(F)F)nc1C(=O)O.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid?
The InChIKey is JAXHXDOJELXXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-2-4(12)6(7(9)10)11-5(3)8(13)14/h2,7,12H,1H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid?
6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118831600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).